2-Chloropyrimidine-5-sulfonyl chloride

HCID 43244366CAS 98026-88-1

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)c1cnc(Cl)nc1
InChIKey: DMAOAJYJIATWJS-UHFFFAOYSA-N
Summenformel: C4H2Cl2N2O2S
Durchschnittliche Molmasse: 213,04 g/mol
Monoisotopische Masse: 211,9214039

Namen und Bezeichner

Bevorzugter Name: 2-Chloropyrimidine-5-sulfonyl chloride
IUPAC: 2-chloropyrimidine-5-sulfonyl chloride
Englischer Name: 2-Chloro-pyrimidine-5-sulfonyl chloride
Summenformel: C4H2Cl2N2O2S
Molmasse: 213.04

Namen und Synonyme

98026-88-12-chloropyrimidine-5-sulfonyl chlorideDTXSID30655769RefChem:259565DTXCID30606519801-061-32-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE2-CHLORO-5-PYRIMIDINESULFONYL CHLORIDEMFCD066572082-Chloropyrimidine-5-sulfonylchloride5-Pyrimidinesulfonyl chloride, 2-chloro-AKOS009132858

Weitere Namen anzeigen

2-Chloro-pyrimidine-5-sulphonylchloride

CS-W004646CS-0067140EN300-31378F31292Z2551508902-Chloro-Pyrimidine-5-SulfonylChlorideSCHEMBL16969DMAOAJYJIATWJS-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 98026-88-1
PubChem CID: 43244366
DTXSID: DTXSID30655769
EC Number: 801-061-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 68,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-67 °C
Siedepunkt: 383.2 · 383.2±15.0 °C(Predicted)
Dichte: 1.711 · 1.711±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: -5.59 · -5.59±0.22(Predicted)
Aggregatzustand: Crystalline Powder or Powder
Farbe: White to cream
InChI: InChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
InChIKey: DMAOAJYJIATWJS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(S(Cl)(=O)=O)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.